N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

C12H14N2O3S3 — CID 47206827

IUPACN-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O3S3/c1-8(11(15)13-2)20(16,17)7-9-6-19-12(14-9)10-4-3-5-18-10/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyGQLMBRZGQXIJOH-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (PubChem CID 47206827) has the molecular formula C12H14N2O3S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
PubChem CID47206827
Molecular FormulaC12H14N2O3S3
Molecular Weight330.46 g/mol
Exact Mass330.02
IUPAC NameN-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
SMILESCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C12H14N2O3S3/c1-8(11(15)13-2)20(16,17)7-9-6-19-12(14-9)10-4-3-5-18-10/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyGQLMBRZGQXIJOH-UHFFFAOYSA-N
XLogP1.92
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The IUPAC name of N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide (CID 47206827) is N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is CNC(=O)C(C)S(=O)(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
The InChIKey is GQLMBRZGQXIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S3/c1-8(11(15)13-2)20(16,17)7-9-6-19-12(14-9)10-4-3-5-18-10/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide?
N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide has a molecular weight of 330.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 47206827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).